| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:15:07 UTC |
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| Update Date | 2025-03-21 18:33:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00098376 |
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| Frequency | 28.0 |
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| Structure | |
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| Chemical Formula | C7H8O4 |
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| Molecular Mass | 156.0423 |
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| SMILES | O=C(O)C=CC=CCC(=O)O |
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| InChI Key | LDUQKCXNPVBOLR-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | lipids and lipid-like molecules |
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| Class | fatty acyls |
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| Subclass | fatty acids and conjugates |
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| Direct Parent | medium-chain fatty acids |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | carbonyl compoundscarboxylic acidsdicarboxylic acids and derivativeshydrocarbon derivativesorganic oxidesunsaturated fatty acids |
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| Substituents | aliphatic acyclic compoundcarbonyl groupcarboxylic acidcarboxylic acid derivativeunsaturated fatty acidorganic oxideorganic oxygen compounddicarboxylic acid or derivativeshydrocarbon derivativemedium-chain fatty acidorganooxygen compound |
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